3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid

C14H13NO4S2 — CID 102747623

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C14H13NO4S2/c1-9-8-20-12(14(16)17)13(9)21(18,19)15-7-6-10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeySNYYYOVSOZHFAV-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.51
Rot. Bonds3

About 3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid

3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid (PubChem CID 102747623) has the molecular formula C14H13NO4S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid
PubChem CID102747623
Molecular FormulaC14H13NO4S2
Molecular Weight323.40 g/mol
Exact Mass323.03
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C14H13NO4S2/c1-9-8-20-12(14(16)17)13(9)21(18,19)15-7-6-10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeySNYYYOVSOZHFAV-UHFFFAOYSA-N
XLogP2.51
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-dihydroisoindol-2-ylsulfonyl)-4-methylthiophene-2-carboxylic acid
CID 102748662
3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethylbenzoic acid
CID 9235357
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole
CID 866895
4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid
CID 102748571
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride
CID 53314219
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide
CID 2174045
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
3-(3,4-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophene-2-carboxylic acid
CID 102749382
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1-benzothiophene-2-carboxylate
CID 20944639
1-[2,6-dimethyl-4-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydroindole
CID 5298304

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid (CID 102747623) is 3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is SNYYYOVSOZHFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S2/c1-9-8-20-12(14(16)17)13(9)21(18,19)15-7-6-10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,16,17).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid?
3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 323.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102747623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).